[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine

C17H20BrFN2 — CID 105297115

IUPAC[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(Cc2cc(F)ccc2Br)NN)c1
InChIInChI=1S/C17H20BrFN2/c1-11-3-4-12(2)13(7-11)9-16(21-20)10-14-8-15(19)5-6-17(14)18/h3-8,16,21H,9-10,20H2,1-2H3
InChIKeyNBXXJTJZFCWHGI-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.82
Rot. Bonds5

About [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine

[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105297115) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
PubChem CID105297115
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(Cc2cc(F)ccc2Br)NN)c1
InChIInChI=1S/C17H20BrFN2/c1-11-3-4-12(2)13(7-11)9-16(21-20)10-14-8-15(19)5-6-17(14)18/h3-8,16,21H,9-10,20H2,1-2H3
InChIKeyNBXXJTJZFCWHGI-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
CID 105377808
[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
CID 105331170
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205901
[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine (CID 105297115) is [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine is Cc1ccc(C)c(CC(Cc2cc(F)ccc2Br)NN)c1.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is NBXXJTJZFCWHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-11-3-4-12(2)13(7-11)9-16(21-20)10-14-8-15(19)5-6-17(14)18/h3-8,16,21H,9-10,20H2,1-2H3.
What are the key properties of [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 351.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105297115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).